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Chemistry

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Also known as: Nezulcitinib [inn], Nezulcitinib [usan], Thrx-136377, Cxa4i8ah6a, Td-0903, 2412496-23-0
Molecular Formula
C30H37N7O2
Molecular Weight
527.7  g/mol
InChI Key
VQIIUJSNIKEMCK-MHZLTWQESA-N
FDA UNII
CXA4I8AH6A

Nezulcitinib
Nezulcitinib is a lung-selective inhibitor of the Janus associated-kinases (JAKs), with potential immunomodulatory and anti-inflammatory activities. Upon administration via nebulized inhalation, nezulcitinib inhibits the activity of the JAKs, thereby disrupting cytokine-induced activation of JAK-STAT signaling pathways in the airways. This may inhibit the release of pro-inflammatory cytokines and chemokines, reducing inflammatory responses and preventing inflammation-induced damage. The Janus kinase family of non-receptor tyrosine kinases, which includes tyrosine-protein kinase JAK1 (Janus kinase 1; JAK1), tyrosine-protein kinase JAK2 (Janus kinase 2; JAK2), tyrosine-protein kinase JAK3 (Janus kinase 3; JAK3) and non-receptor tyrosine-protein kinase TYK2 (tyrosine kinase 2), plays a key role in cytokine signaling.
1 2D Structure

Nezulcitinib

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[3-(dimethylamino)azetidin-1-yl]-[(6S)-2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone
2.1.2 InChI
InChI=1S/C30H37N7O2/c1-6-18-11-21(38)8-10-22(18)19-7-9-23-24(12-19)33-34-28(23)29-31-25-13-27(37(17(2)3)16-26(25)32-29)30(39)36-14-20(15-36)35(4)5/h7-12,17,20,27,38H,6,13-16H2,1-5H3,(H,31,32)(H,33,34)/t27-/m0/s1
2.1.3 InChI Key
VQIIUJSNIKEMCK-MHZLTWQESA-N
2.1.4 Canonical SMILES
CCC1=C(C=CC(=C1)O)C2=CC3=C(C=C2)C(=NN3)C4=NC5=C(N4)CN(C(C5)C(=O)N6CC(C6)N(C)C)C(C)C
2.1.5 Isomeric SMILES
CCC1=C(C=CC(=C1)O)C2=CC3=C(C=C2)C(=NN3)C4=NC5=C(N4)CN([C@@H](C5)C(=O)N6CC(C6)N(C)C)C(C)C
2.2 Other Identifiers
2.2.1 UNII
CXA4I8AH6A
2.3 Synonyms
2.3.1 MeSH Synonyms

1. (s)-(3-(dimethylamino)azetidin-1-yl)(2-(6-(2-ethyl-4-hydroxyphenyl)-1h-indazol-3-yl)-5-isopropyl-4,5,6,7-tetrahydro-3h-imidazo(4,5-c)pyridin-6-yl)methanone

2. Methanone, (3-(dimethylamino)-1-azetidinyl)((6s)-2-(6-(2-ethyl-4-hydroxyphenyl)-1h-indazol-3-yl)-4,5,6,7-tetrahydro-5-(1-methylethyl)-3h-imidazo(4,5-c)pyridin-6-yl)-, Hydrate (1:1)

3. Nezulcitinib Monohydrate

4. Td-0903

5. Td-0903 Monohydrate

6. Thrx-136377

7. Thrx-136377 Monohydrate

2.3.2 Depositor-Supplied Synonyms

1. Nezulcitinib [inn]

2. Nezulcitinib [usan]

3. Thrx-136377

4. Cxa4i8ah6a

5. Td-0903

6. 2412496-23-0

7. (s)-(3-(dimethylamino)azetidin-1-yl)(2-(6-(2-ethyl-4-hydroxyphenyl)-1h-indazol-3-yl)-5-isopropyl-4,5,6,7-tetrahydro-3h-imidazo(4,5-c)pyridin-6-yl)methanone

8. [3-(dimethylamino)azetidin-1-yl]-[(6s)-2-[6-(2-ethyl-4-hydroxyphenyl)-1h-indazol-3-yl]-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone

9. Unii-cxa4i8ah6a

10. Nezulcitinib [who-dd]

11. Chembl4802163

12. Schembl21772319

13. Gtpl11304

14. Who 11732

15. Example 1 [wo2020051105a1]

16. Hy-132849

17. Cs-0204160

18. (3-(dimethylamino)azetidin-1-yl)((6s)-2-(6-(2-ethyl-4-hydroxyphenyl)-1h-indazol-3-yl)-5-(propan-2-yl)-4,5,6,7-tetrahydro-1h-imidazo(4,5-c)pyridin-6-yl)methanone

19. Methanone, (3-(dimethylamino)-1-azetidinyl)((6s)-2-(6-(2-ethyl-4-hydroxyphenyl)-1h-indazol-3-yl)-4,5,6,7-tetrahydro-5-(1-methylethyl)-3h-imidazo(4,5-c)pyridin-6-yl)-

2.4 Create Date
2020-06-27
3 Chemical and Physical Properties
Molecular Weight 527.7 g/mol
Molecular Formula C30H37N7O2
XLogP33.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass527.30087345 g/mol
Monoisotopic Mass527.30087345 g/mol
Topological Polar Surface Area104 Ų
Heavy Atom Count39
Formal Charge0
Complexity866
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

ABOUT THIS PAGE

Nezulcitinib Manufacturers

A Nezulcitinib manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of Nezulcitinib, including repackagers and relabelers. The FDA regulates Nezulcitinib manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. Nezulcitinib API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

Nezulcitinib Suppliers

A Nezulcitinib supplier is an individual or a company that provides Nezulcitinib active pharmaceutical ingredient (API) or Nezulcitinib finished formulations upon request. The Nezulcitinib suppliers may include Nezulcitinib API manufacturers, exporters, distributors and traders.

Nezulcitinib GMP

Nezulcitinib Active pharmaceutical ingredient (API) is produced in GMP-certified manufacturing facility.

GMP stands for Good Manufacturing Practices, which is a system used in the pharmaceutical industry to make sure that goods are regularly produced and monitored in accordance with quality standards. The FDA’s current Good Manufacturing Practices requirements are referred to as cGMP or current GMP which indicates that the company follows the most recent GMP specifications. The World Health Organization (WHO) has its own set of GMP guidelines, called the WHO GMP. Different countries can also set their own guidelines for GMP like China (Chinese GMP) or the EU (EU GMP).

PharmaCompass offers a list of Nezulcitinib GMP manufacturers, exporters & distributors, which can be sorted by USDMF, JDMF, KDMF, CEP (COS), WC, API price, and more, enabling you to easily find the right Nezulcitinib GMP manufacturer or Nezulcitinib GMP API supplier for your needs.

Nezulcitinib CoA

A Nezulcitinib CoA (Certificate of Analysis) is a formal document that attests to Nezulcitinib's compliance with Nezulcitinib specifications and serves as a tool for batch-level quality control.

Nezulcitinib CoA mostly includes findings from lab analyses of a specific batch. For each Nezulcitinib CoA document that a company creates, the USFDA specifies specific requirements, such as supplier information, material identification, transportation data, evidence of conformity and signature data.

Nezulcitinib may be tested according to a variety of international standards, such as European Pharmacopoeia (Nezulcitinib EP), Nezulcitinib JP (Japanese Pharmacopeia) and the US Pharmacopoeia (Nezulcitinib USP).

Inform the supplier about your product requirements, specifying if you need a product with particular monograph like EP (Ph. Eur.), USP, JP, BP, or any other quality. In addition, clarify whether you need hydrochloride (HCl), anhydricum, base, micronisatum or a specific level of purity. To find reputable suppliers, utilize the filters and select those certified by GMP, FDA, or any other certification as per your requirement.
For your convenience, we have listed synonyms and CAS numbers to help you find the best supplier. The use of synonyms and CAS numbers can be helpful in identifying potential suppliers, but it is crucial to note that they might not always indicate the exact same product. It is important to confirm the product details with the supplier before making a purchase to ensure that it meets your requirements.
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